1-(1,3-benzoxazol-2-yl)-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]isonipecotamide Formula: C29H26FN5O2 MolecularWeight: 495.547443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C29H26FN5O2/c30-23-12-10-20(11-13-23)27-22(19-35(33-27)24-6-2-1-3-7-24)18-31-28(36)21-14-16-34(17-15-21)29-32-25-8-4-5-9-26(25)37-29/h1-13,19,21H,14-18H2,(H,31,36)